Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
GPCR_HUMAN_201601 (GPCR_HUMAN - Jan 2016)
Download :
Data.csv
|
3D Models
Tab legend :
Full name of ligand selected in the comparative docking column:
General color information :
Quality: [
Good
|
Correct
| Uncertain ]
Query
Structural Alignment (SA)
3D Modeling
Annotation
Ligands from PDB templates
Predicted Complexes
- pKd:[
‹nMol
|
‹μMol
|
‹mMol
]
Query Sequence
Filter:
Significants
SA found
Seq Ident.
3D Core
(QMean Score)
Classification code
Uniprot
Pfam
Prosite
Smart
Cath
ECNumber
Binding Site
Ligands Found
(Procognate)
Profile
Complexes by comparative docking
(ligands from PDB templates)
ALL
Y01 - [nb=81] --> CHOLESTEROL HEMISUCCINATE
GLU - [nb=49] --> GLUTAMIC ACID
CHAIN - [nb=31] --> Distinctin chain B
2CV - [nb=30] --> HEGA-10
SOG - [nb=24] --> .....AHYDRO-PYRAN-3,4,5-TRIOL)
Z99 - [nb=22] --> .....H-XANTHEN-9-YL)-D-ALANINE
52Q - [nb=22] --> .....ane-2,6-dicarboxylic acid
D10 - [nb=17] --> DECANE
OLC - [nb=16] --> .....PYL (9Z)-OCTADEC-9-ENOATE
C5A - [nb=15] --> .....ANE-1,3-DICARBOXYLIC ACID
C5B - [nb=15] --> .....ANE-1,3-DICARBOXYLIC ACID
52A - [nb=15] --> .....INE-2,4-DICARBOXYLIC ACID
40H - [nb=13] --> .....ne]-4,6-dicarboxylic acid
2CG - [nb=13] --> .....ANE-1,2-DICARBOXYLIC ACID
NAG - [nb=12] --> ..... (N-ACETYL-D-GLUCOSAMINE)
GGL - [nb=12] --> GAMMA-L-GLUTAMIC ACID
CLR - [nb=12] --> CHOLESTEROL
STE - [nb=10] --> STEARIC ACID
OLA - [nb=7] --> OLEIC ACID
0HK - [nb=6] --> .....cyclo[3.3.1.0~2,4~]nonane
OLB - [nb=6] --> .....PYL (9Z)-OCTADEC-9-ENOATE
HTO - [nb=6] --> HEPTANE-1,2,3-TRIOL
40F - [nb=5] --> .....ane-2,6-dicarboxylic acid
ML5 - [nb=5] --> .....-OXOBUTYL}PHOSPHONIC ACID
0NN - [nb=4] --> .....-YL)PROPYL]-D-PROLINAMIDE
MRV - [nb=4] --> .....YL]CYCLOHEXANECARBOXAMIDE
RAA - [nb=4] --> SUGAR (ALPHA-RHAMNOSE)
3C0 - [nb=4] --> N-methyl scopolamine
PGW - [nb=3] --> .....HYL (9Z)-OCTADEC-9-ENOATE
MES - [nb=3] --> .....LINO)-ETHANESULFONIC ACID
QNB - [nb=3] --> ..... HYDROXY(DIPHENYL)ACETATE
ITD - [nb=2] --> .....LOHEXYLIMIDOTHIOCARBAMATE
2ID - [nb=2] --> .....thyl dihydrogen phosphate
BNG - [nb=2] --> SUGAR (B-NONYLGLUCOSIDE)
RAM - [nb=2] --> SUGAR (ALPHA-L-RHAMNOSE)
4VO - [nb=2] --> .....naphtho[2,1-g]indol-10-ol
3N6 - [nb=2] --> .....]CARBONYL}-D-TYROSINAMIDE
MCG - [nb=2] --> .....YL-4-CARBOXYPHENYLGLYCINE
1Q5 - [nb=2] --> .....YLPHENOXY)PYRIDIN-4-AMINE
2BQ - [nb=1] --> 2-HYDROXYSACLOFEN
2BX - [nb=1] --> .....ORPHOLIN-2-YL]ACETIC ACID
1PE - [nb=1] --> PENTAETHYLENE GLYCOL
2BY - [nb=1] --> PHACLOFEN
2C0 - [nb=1] --> BACLOFEN
2BV - [nb=1] --> .....OXYPROPYL]PHOSPHINIC ACID
4E6 - [nb=1] --> .....6E)-HEXADECA-1,4,6-TRIENE
ABU - [nb=1] --> GAMMA-AMINO-BUTANOIC ACID
N7R - [nb=1] --> .....)PIPERIDINE-1-CARBOXAMIDE
PLM - [nb=1] --> PALMITIC ACID
1KS - [nb=1] --> .....TRIFLUOROMETHYL)BENZAMIDE
381 - [nb=1] --> .....XYLMETHYL)PHOSPHINIC ACID
EJ4 - [nb=1] --> .....B]CARBAZOLE-1,8A(9H)-DIOL
5EH - [nb=1] --> .....,N-DIMETHYLPROPAN-1-AMINE
2BW - [nb=1] --> .....OXYMETHYL)PHOSPHINIC ACID
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
200
NPFF2_HUMAN
20
36%
0.325
PF00001
70 -
(0)
?
- / - / -
0
201
C5AR1_HUMAN
20
38%
0.286
PF00001
50 -
(0)
?
- / - / -
0
202
OR1J4_HUMAN
7
33%
0.330
PF00001
49 -
(0)
?
- / - / -
0
203
MTLR_HUMAN
20
42%
0.355
PF00001
133 -
(0)
?
- / - / -
0
204
GPR84_HUMAN
12
35%
0.315
PF00001
62 -
(0)
?
- / - / -
0
205
OR6P1_HUMAN
6
34%
0.345
PF00001
36 -
(0)
?
- / - / -
0
206
OR1F2_HUMAN
7
29%
0.302
PF00001
34 -
(0)
?
- / - / -
0
207
CXCR5_HUMAN
20
41%
0.285
PF00001
64 -
(0)
?
- / - / -
0
208
OR8B8_HUMAN
13
40%
0.271
PF00001
45 -
(0)
?
- / - / -
0
209
O13C5_HUMAN
2
45%
0.187
PF10413
44 -
(0)
?
- / - / -
0
210
O52B4_HUMAN
10
32%
0.202
PF00001
44 -
(0)
?
- / - / -
0
211
GPR3_HUMAN
20
34%
0.292
PF00001
49 -
(0)
?
- / - / -
0
212
TAAR3_HUMAN
20
50%
0.301
PF00001
74 -
(0)
?
- / - / -
0
213
O10H1_HUMAN
12
37%
0.267
PF00001
50 -
(0)
?
- / - / -
0
214
OR2T6_HUMAN
5
42%
0.311
PF10413
38 -
(0)
?
- / - / -
0
215
OXER1_HUMAN
15
34%
0.307
PF00001
65 -
(0)
?
- / - / -
0
216
P2RY8_HUMAN
19
33%
0.242
PF00001
86 -
(0)
1
- / - / -
0
217
O52E1_HUMAN
12
34%
0.274
PF00001
45 -
(0)
?
- / - / -
0
218
OR4D9_HUMAN
10
32%
0.236
PF00001
35 -
(0)
?
- / - / -
0
219
AGRG2_HUMAN
13
30%
0.149
PF00001
15 -
(0)
?
- / - / -
0
220
O13H1_HUMAN
5
35%
0.285
PF00001
42 -
(0)
?
- / - / -
0
221
MCHR1_HUMAN
20
34%
0.279
PF00001
74 -
(0)
?
- / - / -
0
222
OR4C3_HUMAN
2
52%
0.332
PF10413
41 -
(0)
?
- / - / -
0
223
O5AU1_HUMAN
13
33%
0.356
PF00001
28 -
(0)
?
- / - / -
0
224
MRGX3_HUMAN
11
36%
0.176
PF00001
55 -
(0)
?
- / - / -
0
225
OR2W3_HUMAN
3
25%
0.238
PF10413
59 -
(0)
?
- / - / -
0
226
O6C65_HUMAN
7
42%
0.270
PF00001
51 -
(0)
?
- / - / -
0
227
GP141_HUMAN
8
30%
0.358
PF00001
57 -
(0)
?
- / - / -
0
228
OR4S2_HUMAN
12
27%
0.334
PF00001
29 -
(0)
?
- / - / -
0
229
GP161_HUMAN
20
32%
0.336
PF00001
111 -
(0)
?
- / - / -
0
230
OR5I1_HUMAN
12
40%
0.241
PF00001
38 -
(0)
?
- / - / -
0
231
O5AL1_HUMAN
12
33%
0.281
PF00001
46 -
(0)
?
- / - / -
0
232
PRLHR_HUMAN
20
37%
0.335
PF00001
C5_S1
84 -
(0)
2
- / - /
1
0
233
SSR3_HUMAN
20
43%
0.398
PF00001
43 -
(0)
?
- / - / -
0
234
OR7AA_HUMAN
11
42%
0.276
PF00001
43 -
(0)
?
- / - / -
0
235
NK3R_HUMAN
20
70%
0.259
PF00001
33 -
(0)
?
- / - / -
0
236
OR9A2_HUMAN
9
28%
0.307
PF00001
59 -
(0)
?
- / - / -
0
237
AGRE2_HUMAN
18
86%
0.354
PF00084
1 -
(0)
?
- / - / -
0
238
C5AR2_HUMAN
14
35%
0.285
PF12109
43 -
(0)
?
- / - / -
0
239
O2T10_HUMAN
3
33%
0.254
PF00001
94 -
(0)
?
- / - / -
0
240
TAAR5_HUMAN
20
40%
0.314
PF00001
189 -
(0)
1
- / - / -
0
241
LGR4_HUMAN
19
100%
0.407
PF01462
23 -
(0)
?
- / - / -
0
242
G32P1_HUMAN
13
32%
0.229
PF00001
36 -
(0)
?
- / - / -
0
243
GPR37_HUMAN
11
30%
0.194
PF00001
32 -
(0)
?
- / - / -
0
244
FZD7_HUMAN
13
56%
0.467
PF01392
13 -
(0)
?
- / - / -
0
245
AGRF1_HUMAN
8
37%
0.349
PF00001
11 -
(0)
?
- / - / -
0
246
O51E1_HUMAN
12
31%
0.239
PF00001
44 -
(0)
?
- / - / -
0
247
OR1L4_HUMAN
5
34%
0.222
PF00001
84 -
(0)
?
- / - / -
0
248
HRH1_HUMAN
20
96%
0.204
PF00001
134 -
(0)
?
- / - / -
0
249
CXCR1_HUMAN
20
100%
0.227
PF00001
69 -
(0)
2
- / - / -
0
250
OR7AH_HUMAN
11
33%
0.226
PF00001
40 -
(0)
?
- / - / -
0
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